[2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: [2-[8-(dimethylamino)octylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone citrate CAS Name: [2-[8-(dimethylamino)octylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: [2-[8-(dimethylamino)octylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone citrate Formula: C29H39N2O8S2-3 MolecularWeight: 607.75856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C23H34N2OS2.C6H8O7/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h11-14,17-18H,5-10,15-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3